CR 610
2-[4-[(2S)-3-(ethylamino)-3-oxo-2-(phenylmethoxycarbonylamino)propyl]phenoxy]ethyl-dimethylazanium;2-hydroxy-2-oxoacetate
| Molecular Formula | C25H33N3O8 |
|---|---|
| Molecular Weight | 503.5 g/mol |
| Topological Polar Surface Area | 159.0 A2 |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 503.22678 |
| Heavy Atoms | 36 |
| Complexity | 579.0 |
Chemical Identifiers
| CAS Number | 57228-49-6 |
|---|---|
| SMILES | CCNC(=O)C(CC1=CC=C(C=C1)OCC[NH+](C)C)NC(=O)OCC2=CC=CC=C2.C(=O)(C(=O)[O-])O |
| InChIKey | RETOBOSZYRWPLN-BOXHHOBZSA-N |
📖 Product Overview
CR 610 (CAS: 57228-49-6) is a chemical compound with molecular formula C25H33N3O8 and molecular weight 503.5 g/mol. Its IUPAC systematic name is 2-[4-[(2S)-3-(ethylamino)-3-oxo-2-(phenylmethoxycarbonylamino)propyl]phenoxy]ethyl-dimethylazanium;2-hydroxy-2-oxoacetate.
RETOBOSZYRWPLN-BOXHHOBZSA-N.
SMILES: CCNC(=O)C(CC1=CC=C(C=C1)OCC[NH+](C)C)NC(=O)OCC2=CC=CC=C2.C(=O)(C(=O)[O-])O.
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